| SpectraBase Spectrum ID |
Fa8qpr1uKWu |
| Name |
(1R*,4R*,5S*)-4-(4-Fluorophenyl)-1-methyl-3-oxabicyclo[3.1.0]hexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.095043201 u |
| Formula |
C12H13FO |
| InChI |
InChI=1S/C12H13FO/c1-12-6-10(12)11(14-7-12)8-2-4-9(13)5-3-8/h2-5,10-11H,6-7H2,1H3/t10-,11+,12+/m1/s1 |
| InChIKey |
FBOAVFNJDPQTRI-WOPDTQHZSA-N |
| Molecular Weight |
192.233 g/mol |
| SMILES |
[C@]12([C@@]([C@](C3=CC=C(C=C3)F)(OC1)[H])(C2)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935139 |
![(1R*,4R*,5S*)-4-(4-Fluorophenyl)-1-methyl-3-oxabicyclo[3.1.0]hexane](/api/spectrum/Fa8qpr1uKWu/structure.png?h=300&w=458 "(1R*,4R*,5S*)-4-(4-Fluorophenyl)-1-methyl-3-oxabicyclo[3.1.0]hexane")
